1-[5,6-bis(methoxymethyl)-7-naphthalen-1-yl-2,3-dihydro-1H-inden-4-yl]naphthalene

C33H30O2 — CID 102073038

IUPAC1-[5,6-bis(methoxymethyl)-7-naphthalen-1-yl-2,3-dihydro-1H-inden-4-yl]naphthalene
SMILESCOCc1c(COC)c(-c2cccc3ccccc23)c2c(c1-c1cccc3ccccc13)CCC2
InChIInChI=1S/C33H30O2/c1-34-20-30-31(21-35-2)33(27-17-8-13-23-11-4-6-15-25(23)27)29-19-9-18-28(29)32(30)26-16-7-12-22-10-3-5-14-24(22)26/h3-8,10-17H,9,18-21H2,1-2H3
InChIKeyJXQFAQQMSUDCAF-UHFFFAOYSA-N
MW458.60 g/mol
LogP8.11
Rot. Bonds6

About 1-[5,6-bis(methoxymethyl)-7-naphthalen-1-yl-2,3-dihydro-1H-inden-4-yl]naphthalene

1-[5,6-bis(methoxymethyl)-7-naphthalen-1-yl-2,3-dihydro-1H-inden-4-yl]naphthalene (PubChem CID 102073038) has the molecular formula C33H30O2 and a molecular weight of 458.60 g/mol. Its IUPAC name is 1-[5,6-bis(methoxymethyl)-7-naphthalen-1-yl-2,3-dihydro-1H-inden-4-yl]naphthalene.

Molecular Properties

Compound Name1-[5,6-bis(methoxymethyl)-7-naphthalen-1-yl-2,3-dihydro-1H-inden-4-yl]naphthalene
PubChem CID102073038
Molecular FormulaC33H30O2
Molecular Weight458.60 g/mol
Exact Mass458.22
IUPAC Name1-[5,6-bis(methoxymethyl)-7-naphthalen-1-yl-2,3-dihydro-1H-inden-4-yl]naphthalene
SMILESCOCc1c(COC)c(-c2cccc3ccccc23)c2c(c1-c1cccc3ccccc13)CCC2
InChIInChI=1S/C33H30O2/c1-34-20-30-31(21-35-2)33(27-17-8-13-23-11-4-6-15-25(23)27)29-19-9-18-28(29)32(30)26-16-7-12-22-10-3-5-14-24(22)26/h3-8,10-17H,9,18-21H2,1-2H3
InChIKeyJXQFAQQMSUDCAF-UHFFFAOYSA-N
XLogP8.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(methoxymethyl)-10-(2-methylphenyl)phenanthrene
CID 135013446
2-(methoxymethyl)-3-naphthalen-1-yl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
CID 16585174
5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine
CID 66294471
lithium 6-methyl-8-naphthalen-1-yl-1,2,3,5-tetrahydro-s-indacen-5-ide
CID 165376734
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
4-(2-methoxynaphthalen-1-yl)-5-naphthalen-1-yl-1,3,6,8-tetrahydrofuro[3,4-e][2]benzofuran
CID 122215151
9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene
CID 90290732
1-(2,4,6-trimethoxyphenyl)naphthalene
CID 71363627
CID 175282704
CID 175282704
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096

Frequently Asked Questions

What is the IUPAC name of 1-[5,6-bis(methoxymethyl)-7-naphthalen-1-yl-2,3-dihydro-1H-inden-4-yl]naphthalene?
The IUPAC name of 1-[5,6-bis(methoxymethyl)-7-naphthalen-1-yl-2,3-dihydro-1H-inden-4-yl]naphthalene (CID 102073038) is 1-[5,6-bis(methoxymethyl)-7-naphthalen-1-yl-2,3-dihydro-1H-inden-4-yl]naphthalene.
What is the SMILES notation for 1-[5,6-bis(methoxymethyl)-7-naphthalen-1-yl-2,3-dihydro-1H-inden-4-yl]naphthalene?
The canonical SMILES for 1-[5,6-bis(methoxymethyl)-7-naphthalen-1-yl-2,3-dihydro-1H-inden-4-yl]naphthalene is COCc1c(COC)c(-c2cccc3ccccc23)c2c(c1-c1cccc3ccccc13)CCC2.
What is the InChIKey of 1-[5,6-bis(methoxymethyl)-7-naphthalen-1-yl-2,3-dihydro-1H-inden-4-yl]naphthalene?
The InChIKey is JXQFAQQMSUDCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30O2/c1-34-20-30-31(21-35-2)33(27-17-8-13-23-11-4-6-15-25(23)27)29-19-9-18-28(29)32(30)26-16-7-12-22-10-3-5-14-24(22)26/h3-8,10-17H,9,18-21H2,1-2H3.
What are the key properties of 1-[5,6-bis(methoxymethyl)-7-naphthalen-1-yl-2,3-dihydro-1H-inden-4-yl]naphthalene?
1-[5,6-bis(methoxymethyl)-7-naphthalen-1-yl-2,3-dihydro-1H-inden-4-yl]naphthalene has a molecular weight of 458.60 g/mol, XLogP of 8.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,6-bis(methoxymethyl)-7-naphthalen-1-yl-2,3-dihydro-1H-inden-4-yl]naphthalene is sourced from PubChem (CID 102073038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).